[gmx-users] atom types of hydrogens

Justin Lemkul jalemkul at vt.edu
Tue Apr 9 17:38:52 CEST 2019

On 4/9/19 11:26 AM, boshra.moradi.61 wrote:
>   Dear all,
> i'm new om gromacs and my molecule is D-glucosamine.i introduced it via
> inserting in aminoacids.rtp file.my question is how nominate four
> H-atoms . i want atomtypes.atp to find the atometype of these four atoms
> but i didn't find.i want you to guide me about this problem,could you

Most force fields should already have parameters for such a species. In 
any case, the information in the .atp file is likely inadequate but you 
can make the assignments based on the same moieties in residues defined 
within the .rtp file.



Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129


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